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MMsINC code: MMs03093643

Type: Neutral
Formula: C₁₇H₁₆ClN₃O₂

SMILES:

Clc1ccc(OCCn2cc(c3c2cccc3)/C(=N\O)/N)cc1

InChI:

InChI=1/C17H16ClN3O2/c18-12-5-7-13(8-6-12)23-10-9-21-11-15(17(19)20-22)14-3-1-2-4-16(14)21/h1-8,11,22H,9-10H2,(H2,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9577 kcal/mol

Physical Properties
Molecular Weight: 329.787 g/mol	logS: -4.21514	SlogP: 3.7346	Reactive groups: 0

Topological Properties
Globularity: 0.0900961	Sterimol/B1: 2.91864	Sterimol/B2: 3.82772	Sterimol/B3: 4.36839
Sterimol/B4: 7.91017	Sterimol/L: 17.6128

Surface and Volume Properties
Accessible surface: 583.57	Positive charged surface: 306.637	Negative charged surface: 271.089	Volume: 303.125
Hydrophobic surface: 434.54	Hydrophilic surface: 149.03

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.